2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one

C21H19NO4 — CID 93480787

IUPAC2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one
SMILESCOc1ccc([C@H]2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)cc1
InChIInChI=1S/C21H19NO4/c1-25-16-8-6-14(7-9-16)15-10-11-22(13-15)21(24)20-12-18(23)17-4-2-3-5-19(17)26-20/h2-9,12,15H,10-11,13H2,1H3/t15-/m0/s1
InChIKeyWXTIQFYZXIUYBR-HNNXBMFYSA-N
MW349.39 g/mol
LogP3.43
Rot. Bonds3

About 2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one

2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one (PubChem CID 93480787) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one
PubChem CID93480787
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one
SMILESCOc1ccc([C@H]2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)cc1
InChIInChI=1S/C21H19NO4/c1-25-16-8-6-14(7-9-16)15-10-11-22(13-15)21(24)20-12-18(23)17-4-2-3-5-19(17)26-20/h2-9,12,15H,10-11,13H2,1H3/t15-/m0/s1
InChIKeyWXTIQFYZXIUYBR-HNNXBMFYSA-N
XLogP3.43
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-methoxyphenyl)azepane-1-carbonyl]chromen-4-one
CID 121147054
2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one
CID 110104889
5-[(3S)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124687783
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507
2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
CID 90628576
2-[(3R)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582758
2-[(3S)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582759
(2,5-dimethylfuran-3-yl)-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 93480756
2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122255813
2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one
CID 124947056

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one?
The IUPAC name of 2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one (CID 93480787) is 2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one?
The canonical SMILES for 2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one is COc1ccc([C@H]2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)cc1.
What is the InChIKey of 2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one?
The InChIKey is WXTIQFYZXIUYBR-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-25-16-8-6-14(7-9-16)15-10-11-22(13-15)21(24)20-12-18(23)17-4-2-3-5-19(17)26-20/h2-9,12,15H,10-11,13H2,1H3/t15-/m0/s1.
What are the key properties of 2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one?
2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one has a molecular weight of 349.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 93480787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).